3-Oxo-N-[2-(trifluoromethyl)phenyl]butyramide (CED0179426)

Record Information
Version1.0
Creation Date2026-04-05 06:22:27 UTC
Update Date2026-08-18 07:28:36 UTC
Accession NumberCHEM094681
Identification
Common Name3-Oxo-N-[2-(trifluoromethyl)phenyl]butyramide
ClassSmall Molecule
Description
3-Oxo-N-[2-(trifluoromethyl)phenyl]butyramide is an organic compound with the chemical formula C11H10F3NO2 and an average molecular weight of 245.20 g/mol. 3-Oxo-N-[2-(trifluoromethyl)phenyl]butyramide belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. In terms of broader chemical classification, it is categorized under the superclass of benzenoids. The compound has been identified in or released from six recorded sources. These sources include electrical and electronic equipment, specifically antennas, auxiliary devices, coils, power cables, and superconductive or hyperconductive conductors cables or transmission lines. Additionally, it is associated with building and construction materials, specifically tents or canopies.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H10F3NO2
Average Molecular Mass245.201 g/mol
Monoisotopic Mass245.066 g/mol
CAS Registry Number81761-28-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)CC(O)=NC1=CC=CC=C1C(F)(F)F
InChI IdentifierInChI=1/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChI KeyVATRWWPJWVCZTA-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
269.0Log mg/kg[150:480]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureUtrophinE9Q6R7Mus musculusPredicted (SEA)7.31783
Click to view 3D structureATP-dependent Clp protease proteolytic subunitQ5F914Neisseria gonorrhoeaePredicted (SEA)0.622794
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)31.2175
Retinol-binding protein 4 structureClick to view 3D structureRetinol-binding protein 4P02753HumansPredicted (SEA)7.47353
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1945.14
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2365.06
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)1727.86
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)1813.42
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1416.0
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)632.758
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)1971.45
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)9.41976
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)2470.54
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)2070.48
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)1813.5
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)2169.42
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)1904.19
Homeodomain-interacting protein kinase 2 structureClick to view 3D structureHomeodomain-interacting protein kinase 2Q9H2X6HumansPredicted (SEA)1420.2
Interleukin-1 receptor-associated kinase 4 structureClick to view 3D structureInterleukin-1 receptor-associated kinase 4Q9NWZ3HumansPredicted (SEA)1785.78
Cell division cycle 7-related protein kinase structureClick to view 3D structureCell division cycle 7-related protein kinaseO00311HumansPredicted (SEA)1187.28
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)534.435
Stearoyl-CoA desaturase structureClick to view 3D structureStearoyl-CoA desaturaseO00767HumansPredicted (SEA)14.7914
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)2951.81
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)2414.73
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)851.515
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available